Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame

被引:17
作者
Lucassen, Arnas [1 ]
Park, Sungwoo [2 ]
Hansen, Nils [1 ]
Sarathy, S. Mani [2 ]
机构
[1] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA
[2] King Abdullah Univ Sci & Technol, Thuwal 239556900, Saudi Arabia
关键词
Alcohol combustion; 2-Methylbutanol; Biofuels; Mass spectrometry; Kinetic modeling; ISO-BUTANOL; 2-METHYL-1-BUTANOL; DECOMPOSITION; PATHWAYS; IGNITION; SPEEDS;
D O I
10.1016/j.proci.2014.05.008
中图分类号
O414.1 [热力学];
学科分类号
摘要
This paper presents a detailed investigation of 2-methylbutanol combustion chemistry in low-pressure premixed flames. This chemistry is of particular interest to study because this compound is potentially a lignocellulosic-based, next-generation biofuel. The detailed chemical structure of a stoichiometric low-pressure (25 Torr) flame was determined using flame-sampling molecular-beam mass spectrometry. A total of 55 species were identified and subsequently quantitative mole fraction profiles as function of distance from the burner surface were determined. In an independent effort, a detailed flame chemistry model for 2-methylbutanol was assembled based on recent knowledge gained from combustion chemistry studies for butanol isomers ([Sarathy et al. Combust. Flame 159 (6) (2012) 2028-2055]) and iso-pentanol (3-methylbutanol) [Sarathy et al. Combust. Flame 160 (12) (2013) 2712-2728]. Experimentally determined and modeled mole fraction profiles were compared to demonstrate the model's capabilities. Examples of individual mole fraction profiles are discussed together with the most significant fuel consumption pathways to highlight the combustion chemistry of 2-methylbutanol. Discrepancies between experimental and modeling results are used to suggest areas where improvement of the kinetic model would be needed. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
引用
收藏
页码:813 / 820
页数:8
相关论文
共 33 条
[1]  
[Anonymous], 2014, PROG ENERGY IN PRESS
[2]   Experimental and kinetic modeling study of 2-butanol pyrolysis and combustion [J].
Cai, Jianghuai ;
Yuan, Wenhao ;
Ye, Lili ;
Cheng, Zhanjun ;
Wang, Yizun ;
Zhang, Lidong ;
Zhang, Feng ;
Li, Yuyang ;
Qi, Fei .
COMBUSTION AND FLAME, 2013, 160 (10) :1939-1957
[3]   Performance tests of a diesel engine fueled with pentanol/diesel fuel blends [J].
Campos-Fernandez, Javier ;
Arnal, Juan M. ;
Gomez, Jose ;
Lacalle, Nayare ;
Pilar Dorado, M. .
FUEL, 2013, 107 :866-872
[4]   Production of 2-methyl-1-butanol in engineered Escherichia coli [J].
Cann, Anthony F. ;
Liao, James C. .
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, 2008, 81 (01) :89-98
[5]   ORTHOGONAL ACCELERATION - A NEW DIRECTION FOR TIME-OF-FLIGHT MASS-SPECTROMETRY - FAST, SENSITIVE MASS ANALYSIS FOR CONTINUOUS ION SOURCES [J].
COLES, J ;
GUILHAUS, M .
TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 1993, 12 (05) :203-213
[6]   Photoionization mass spectrometer for studies of flame chemistry with a synchrotron light source [J].
Cool, TA ;
McIlroy, A ;
Qi, F ;
Westmoreland, PR ;
Poisson, L ;
Peterka, DS ;
Ahmed, M .
REVIEW OF SCIENTIFIC INSTRUMENTS, 2005, 76 (09)
[7]   Advances and challenges in laminar flame experiments and implications for combustion chemistry [J].
Egolfopoulos, F. N. ;
Hansen, N. ;
Ju, Y. ;
Kohse-Hoeinghaus, K. ;
Law, C. K. ;
Qi, F. .
PROGRESS IN ENERGY AND COMBUSTION SCIENCE, 2014, 43 :36-67
[8]   High-temperature oxidation chemistry of n-butanol - experiments in low-pressure premixed flames and detailed kinetic modeling [J].
Hansen, N. ;
Harper, M. R. ;
Green, W. H. .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (45) :20262-20274
[9]   The predictive capability of an automatically generated combustion chemistry mechanism: Chemical structures of premixed iso-butanol flames [J].
Hansen, Nils ;
Merchant, Shamel S. ;
Harper, Michael R. ;
Green, William H. .
COMBUSTION AND FLAME, 2013, 160 (11) :2343-2351
[10]   Identification of Tetrahydrofuran Reaction Pathways in Premixed Flames [J].
Kasper, Tina ;
Lucassen, Arnas ;
Jasper, Ahren W. ;
Li, Wenjun ;
Westmoreland, Phillip R. ;
Kohse-Hoeinghaus, Katharina ;
Yang, Bin ;
Wang, Juan ;
Cool, Terrill A. ;
Hansen, Nils .
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2011, 225 (11-12) :1237-1270